SCHEMBL30974447

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	8/20	0.65

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	IL23R	Q5VWK5	1/20	0.56

▸	C5AR1	P21730	1/20	0.56

▸	MC4R	P32245	2/20	0.55

▸	MC5R	P33032	2/20	0.55

▸	MC3R	P41968	2/20	0.55

▸	MC1R	Q01726	2/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	RAMP3	O60896	5/20	0.54

▸	CALCR	P30988	5/20	0.54

▸	CALCA	P06881	1/20	0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30974412	0.98	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974222	0.96	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974020	0.94	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974510	0.92	CXCR4 (0.63)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974375	0.92	CXCR4 (0.58)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974073	0.92	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974492	0.92	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974438	0.88	CXCR4 (0.58)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974397	0.88	CXCR4 (0.59)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974340	0.88	CXCR4 (0.59)	CXCR4NPY1RNPY2RNPY4RNPY5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed